1. Theoretical investigation of supramolecular organic framework membranes for hydrogen purification.
- Author
-
Zhang, Huiting, Yang, Dengfeng, Guan, Mengjiao, Xu, Jianan, Li, Qing, Cai, Mengmeng, Yu, Zhuanni, and Liu, Qingzhi
- Subjects
- *
COMPOSITE membranes (Chemistry) , *MOLECULAR dynamics , *GAS separation membranes , *CARBON dioxide , *MEMBRANE separation - Abstract
Given that SOF materials have both inorganic and organic properties and are easy to prepare and structurally designable, this paper carries out the microbehavioral analysis and membrane design of SOF-8, SOF-9, and SOF-10 membranes for the hydrogen purification process of RMFCs. Since three materials have complementary performance characteristics for hydrogen purification, this paper focuses on the gas separation behavior of these three composite membranes using molecular dynamics simulations. Results showed that the SOF-9a+10a composite membranes could 100% block CO 2 and CO, and displayed an excellent H 2 permeability of 6.118 × 105 GPU during H 2 /CO 2 separation, which exceeded the industry standard by nearly 105 times. Additionally, the SOF-9a+8 and SOF-10a+8 composite membranes improved gas selectivity and maintained high H 2 permeability. Moreover, microdiffusion analyses revealed that the small pore sizes and irregular-shaped pore channels effectively hindered CO 2 and CO transport. Microscopic analysis shows the potential of SOF composite membranes for gas separation. [Display omitted] • SOF composite membranes can effectively improve gas selectivity. • Small pore sizes and irregular pore channels can effectively block CO 2 transport. • SOF-9a+10 can 100% intercept CO 2 and CO. • The interaction between gas and membrane affects the gas separation performance. [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF